Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1AL5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 0.78 -0.595 0.435
2 N3 N N2 N Y N 0 3.983 -2.503 -1.269
3 C4 C C1 N Y N 0 3.116 -0.577 -0.22
4 C5 C C2 N Y N 0 1.867 -1.224 -0.137
5 C6 C C3 S N N 0 -0.509 -1.285 0.512
6 C7 C C4 N Y N 0 -1.62 -0.269 0.586
7 C8 C C5 N Y N 0 -1.47 0.873 1.35
8 C10 C C6 N Y N 0 -3.684 1.594 0.721
9 C13 C C7 N N N 0 -6.469 1.369 -0.364
10 C15 C C8 N N N 0 -4.736 2.652 0.878
11 C17 C C9 N N N 0 -1.888 -2.889 1.842
12 C20 C C10 N Y N 0 4.191 -1.269 -0.814
13 O2 O O1 N N N 0 -4.91 0.447 -2.331
14 S S S1 N N N 0 -5.28 0.146 -0.992
15 O1 O O2 N N N 0 -5.667 -1.169 -0.615
16 C14 C C11 N N N 0 -5.726 2.711 -0.272
17 C9 C C12 N Y N 0 -2.492 1.794 1.416
18 C11 C C13 N Y N 0 -3.819 0.464 -0.052
19 C12 C C14 N Y N 0 -2.792 -0.467 -0.114
20 C16 C C15 N N N 0 -0.541 -2.167 1.761
21 C18 C C16 N N N 0 0.586 -3.199 1.686
22 N2 N N3 N Y N 0 1.763 -2.458 -0.621
23 C19 C C17 N Y N 0 2.799 -3.067 -1.168
24 C3 C C18 N Y N 0 3.6 0.689 0.17
25 N4 N N4 N Y N 0 5.278 -0.442 -0.777
26 C2 C C19 N Y N 0 4.914 0.751 -0.177
27 C1 C C20 N N N 0 5.803 1.898 0.049
28 O O O3 N N N 0 5.376 2.901 0.589
29 N N N5 N N N 0 7.092 1.839 -0.341
30 C C C21 N N N 0 7.978 2.983 -0.115
31 H7 H H1 N N N 0 0.872 0.304 0.789
32 H H H2 N N N 0 -0.643 -1.906 -0.375
33 H8 H H3 N N N 0 -0.553 1.043 1.895
34 H12 H H4 N N N 0 -7.31 1.456 -1.051
35 H11 H H5 N N N 0 -6.824 1.07 0.622
36 H15 H H6 N N N 0 -5.286 2.461 1.8
37 H16 H H7 N N N 0 -4.245 3.621 0.964
38 H19 H H8 N N N 0 -2.022 -3.509 0.956
39 H20 H H9 N N N 0 -1.911 -3.517 2.732
40 H18 H H10 N N N 0 -2.691 -2.154 1.895
41 H13 H H11 N N N 0 -5.192 2.896 -1.203
42 H14 H H12 N N N 0 -6.443 3.513 -0.095
43 H9 H H13 N N N 0 -2.369 2.684 2.016
44 H10 H H14 N N N 0 -2.912 -1.356 -0.716
45 H17 H H15 N N N 0 -0.408 -1.547 2.648
46 H21 H H16 N N N 0 0.452 -3.819 0.8
47 H23 H H17 N N N 0 1.545 -2.685 1.629
48 H22 H H18 N N N 0 0.563 -3.828 2.577
49 H24 H H19 N N N 0 2.668 -4.069 -1.55
50 H6 H H20 N N N 0 3.031 1.468 0.656
51 H1 H H21 N N N 0 6.161 -0.656 -1.117
52 H5 H H22 N N N 0 7.432 1.039 -0.771
53 H4 H H23 N N N 0 8.035 3.194 0.953
54 H2 H H24 N N N 0 8.974 2.752 -0.494
55 H3 H H25 N N N 0 7.585 3.856 -0.637